Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.32 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.32 |
| ▸ | TYMP | P19971 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL18949976 | 0.83 | HTR2A (0.42) | CYP1A2CYP2A6TSHRALDH1A1HSD17B10 | |
| SCHEMBL1054281 | 0.82 | CYP1A2 (0.45) | CYP1A2CYP2A6TSHRALDH1A1HSD17B10 | |
| SCHEMBL10634101 | 0.79 | TSHR (0.48) | CYP1A2CYP2A6TSHRALDH1A1HSD17B10 | |
| SCHEMBL19065036 | 0.77 | CYP1A2 (0.44) | CYP1A2CYP2A6TSHRALDH1A1HSD17B10 | |
| SCHEMBL6547602 | 0.74 | TSHR (0.44) | CYP1A2CYP2A6TSHRALDH1A1HSD17B10 | |
| SCHEMBL14665267 | 0.72 | TSHR (0.47) | CYP1A2TSHRALDH1A1HSD17B10HPGD | |
| SCHEMBL18350073 | 0.72 | NQO2 (0.41) | CYP1A2TSHRALDH1A1HPGDKDM4E | |
| Water SCHEMBL11570775 | 0.72 | IKBKB (0.35) | CYP1A2CYP2A6TSHRALDH1A1HSD17B10 | |
| SCHEMBL6546711 | 0.72 | CYP1A2 (0.47) | CYP1A2CYP2A6TSHRALDH1A1HSD17B10 | |
| SCHEMBL6546616 | 0.71 | TSHR (0.46) | CYP1A2CYP2A6TSHRALDH1A1HSD17B10 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0599448-B1 | Solvant for use in carbonless paper, comprising diisopropylmethylnaphthalene, and products utilising same | KOCH IND INC (US) | 1998-04-29 | — | — | EP | disclosed |
| US-5489332-A | MIXTURE | KOCH INDUSTRIES, INC. (US) | 1996-02-06 | — | — | US | disclosed |
| US-5385879-A | Carbonless paper solvent comprising diisopropylmethylnaphthalene and products utilizing same | KOCH INDUSTRIES, INC. (US) | 1995-01-31 | — | — | US | disclosed |
| EP-0599448-A2 | Solvant for use in carbonless paper, comprising diisopropylmethylnaphthalene, and products utilising same | KOCH INDUSTRIES, INC. (US) | 1994-06-01 | — | — | EP | disclosed |